[2-(2,5-dimethylphenyl)-2-oxidanylidene-ethyl] 2-[(2-fluorophenyl)amino]pyridine-3-carboxylate

Systemtic Name: [2-(2,5-dimethylphenyl)-2-oxidanylidene-ethyl] 2-[(2-fluorophenyl)amino]pyridine-3-carboxylate Openeye Name: [2-(2,5-dimethylphenyl)-2-oxo-ethyl] 2-(2-fluoroanilino)pyridine-3-carboxylate CAS Name: 2-(2-fluoroanilino)-3-pyridinecarboxylic acid [2-(2,5-dimethylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(2,5-dimethylphenyl)-2-oxoethyl] 2-(2-fluoroanilino)pyridine-3-carboxylate Traditional Name: 2-(2-fluoroanilino)nicotinic acid [2-(2,5-dimethylphenyl)-2-keto-ethyl] ester Formula: C22H19FN2O3 MolecularWeight: 378.396263

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C(=O)COC(=O)C2=C(N=CC=C2)NC3=CC=CC=C3F

Isomeric SMILES

CC1=CC(=C(C=C1)C)C(=O)COC(=O)C2=C(N=CC=C2)NC3=CC=CC=C3F

InChI

InChI=1S/C22H19FN2O3/c1-14-9-10-15(2)17(12-14)20(26)13-28-22(27)16-6-5-11-24-21(16)25-19-8-4-3-7-18(19)23/h3-12H,13H2,1-2H3,(H,24,25)